4-bromo-2,6-dichloro-N-cyclopropyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C15H16BrCl2N3O2S — CID 58561317

IUPAC4-bromo-2,6-dichloro-N-cyclopropyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1N(C1CC1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C15H16BrCl2N3O2S/c1-8-14(9(2)20(3)19-8)21(11-4-5-11)24(22,23)15-12(17)6-10(16)7-13(15)18/h6-7,11H,4-5H2,1-3H3
InChIKeyLMPKOSZMDGOLRU-UHFFFAOYSA-N
MW453.19 g/mol
LogP4.46
Rot. Bonds4

About 4-bromo-2,6-dichloro-N-cyclopropyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

4-bromo-2,6-dichloro-N-cyclopropyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 58561317) has the molecular formula C15H16BrCl2N3O2S and a molecular weight of 453.19 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-cyclopropyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-cyclopropyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID58561317
Molecular FormulaC15H16BrCl2N3O2S
Molecular Weight453.19 g/mol
Exact Mass450.95
IUPAC Name4-bromo-2,6-dichloro-N-cyclopropyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1N(C1CC1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C15H16BrCl2N3O2S/c1-8-14(9(2)20(3)19-8)21(11-4-5-11)24(22,23)15-12(17)6-10(16)7-13(15)18/h6-7,11H,4-5H2,1-3H3
InChIKeyLMPKOSZMDGOLRU-UHFFFAOYSA-N
XLogP4.46
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.19
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-cyclopropyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-cyclopropyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 58561317) is 4-bromo-2,6-dichloro-N-cyclopropyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-cyclopropyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-cyclopropyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is Cc1nn(C)c(C)c1N(C1CC1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-cyclopropyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is LMPKOSZMDGOLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrCl2N3O2S/c1-8-14(9(2)20(3)19-8)21(11-4-5-11)24(22,23)15-12(17)6-10(16)7-13(15)18/h6-7,11H,4-5H2,1-3H3.
What are the key properties of 4-bromo-2,6-dichloro-N-cyclopropyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-cyclopropyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 453.19 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-cyclopropyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 58561317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).